N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide

C29H35N3O2 — CID 59715135

IUPACN-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
SMILESCn1c(-c2ccc(NC(=O)C3CCCCC3)cc2)cc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C29H35N3O2/c1-32-26-17-16-25(31-29(34)22-10-6-3-7-11-22)18-23(26)19-27(32)20-12-14-24(15-13-20)30-28(33)21-8-4-2-5-9-21/h12-19,21-22H,2-11H2,1H3,(H,30,33)(H,31,34)
InChIKeyWQZZESNBMMRBDB-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.88
Rot. Bonds5

About N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 59715135) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID59715135
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
SMILESCn1c(-c2ccc(NC(=O)C3CCCCC3)cc2)cc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C29H35N3O2/c1-32-26-17-16-25(31-29(34)22-10-6-3-7-11-22)18-23(26)19-27(32)20-12-14-24(15-13-20)30-28(33)21-8-4-2-5-9-21/h12-19,21-22H,2-11H2,1H3,(H,30,33)(H,31,34)
InChIKeyWQZZESNBMMRBDB-UHFFFAOYSA-N
XLogP6.88
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-(cyclobutanecarbonylamino)-1-methyl-N-(2-methylpropyl)indole-2-carboxamide
CID 83280459
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
CID 20944530
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218632
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
CID 131946732

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide (CID 59715135) is N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide is Cn1c(-c2ccc(NC(=O)C3CCCCC3)cc2)cc2cc(NC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is WQZZESNBMMRBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-32-26-17-16-25(31-29(34)22-10-6-3-7-11-22)18-23(26)19-27(32)20-12-14-24(15-13-20)30-28(33)21-8-4-2-5-9-21/h12-19,21-22H,2-11H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 457.62 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 59715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).